N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H16N4O2 — CID 36769249

IUPACN-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C13H16N4O2/c1-8-12(9(2)17(3)16-8)13(18)15-10-5-6-11(19-4)14-7-10/h5-7H,1-4H3,(H,15,18)
InChIKeyZUOFEGOQOIPHOY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.69
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 36769249) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID36769249
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C13H16N4O2/c1-8-12(9(2)17(3)16-8)13(18)15-10-5-6-11(19-4)14-7-10/h5-7H,1-4H3,(H,15,18)
InChIKeyZUOFEGOQOIPHOY-UHFFFAOYSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 36769249) is N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(C)c2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is ZUOFEGOQOIPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-12(9(2)17(3)16-8)13(18)15-10-5-6-11(19-4)14-7-10/h5-7H,1-4H3,(H,15,18).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 36769249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).